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γ-Phenylpropanol

CAS: 122-97-4 | C9H12O

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 122-97-4
Molecular Formula: C9H12O
Molecular Weight: 136.194 g/mol

Names and Synonyms:

γ-Phenylpropanol
Benzenepropanol
Benzenepropanol
1-Propanol, 3-phenyl-
Hydrocinnamic alcohol
Hydrocinnamyl alcohol
3-Phenyl-n-propanol
3-Phenyl-1-propanol
3-Phenylpropanol
3-Phenylpropyl alcohol
γ-Phenylpropyl alcohol
(3-Hydroxypropyl)benzene
3-Benzenepropanol
1-Hydroxy-3-phenylpropane
NSC 16942
3-Hydroxy-1-phenylpropane
Dihydrocinnamyl alcohol
Dihydrocinnamic alcohol

Identifiers:

SMILES:
OCCCc1ccccc1
InChI:
InChI=1S/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Molecular

Property Value Source
Molecular Weight 136.194 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 136.088815004 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 10 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 1 count RDKit
Hydrogen Bond Donors 1 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 3 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 1 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 20.23 Ų RDKit

Physical Properties

Property Value Source
LogP 1.6115 RDKit
molecular_mass 136.19 g/mol Legacy Database
density 1.01 g/cm³ Legacy Database
cas-boiling-point 235 °C None Legacy Database
cas-canonical-smile OCCCC=1C=CC=CC1 None Legacy Database
cas-density 1.006 g/cm3 @ Temp: 24 °C None Legacy Database
cas-inchi InChI=1S/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2 None Legacy Database
cas-inchi-key InChIKey=VAJVDSVGBWFCLW-UHFFFAOYSA-N None Legacy Database
cas-melting-point <-18 °C None Legacy Database
cas-name Benzenepropanol None Legacy Database

Molar

Property Value Source
Molar Refractivity 41.848800000000026 RDKit

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